Information card for entry 4072714

Structure parameters

• Chemical name: 2,5,5-Trimethyl-4,4,6,6-tetrakis(trimethylsilyl)-2-alumina-1,3-dioxa- 4,5,6-trisilacyclohexane
• Formula: C30 H90 Al2 O4 Si14
• Calculated formula: C30 H90 Al2 O4 Si14
• SMILES: [Al]12(C)[O]3[Al]([O]1[Si]([Si](C)(C)[Si](O2)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(O[Si]([Si](C)(C)C)([Si](C)(C)[Si]3([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C
• Title of publication: Synthesis and Structure of Cyclic Aluminum Disiloxides
• Authors of publication: Krempner, C.; Reinke, H.; Weichert, K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1386
• a: 13.1046 ± 0.0006 Å
• b: 12.717 ± 0.0005 Å
• c: 19.0643 ± 0.0007 Å
• α: 90°
• β: 109.562 ± 0.001°
• γ: 90°
• Cell volume: 2993.7 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No